Magnesium, bis[2-(hydroxy-κO)benzoato-κO]-, hydrate (1:4), (T-4)-

C14H18MgO10CAS 18917-95-8370.59 g/mol

Open in Covalent MOL file
H2OH2OH2OH2OOHOHOOO−O−Mg2+
Carboxylic acidPhenol

Properties

Molecular formula
C14H18MgO10
Molar mass
370.59 g/mol
Exact mass
370.0750 Da
logP
-3.47Crippen estimate
Polar surface area
246.7 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
18917-95-8
SMILES
O.O.O.O.O=C(O)c1ccccc1O.O=C([O-])c1ccccc1[O-].[Mg+2]
InChIKey
NBQBEWAYWAMLJJ-UHFFFAOYSA-L
InChI
InChI=1S/2C7H6O3.Mg.4H2O/c2*8-6-4-2-1-3-5(6)7(9)10;;;;;/h2*1-4,8H,(H,9,10);;4*1H2/q;;+2;;;;/p-2

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Names and synonyms

3 names
  • Magnesium, bis(salicylato)-, tetrahydrate
  • Magnesium, bis(2-hydroxybenzoato-O1,O2)-, tetrahydrate, (T-4)-
  • Magnesium, bis[2-(hydroxy-κO)benzoato-κO]-, tetrahydrate, (T-4)-

Work with Magnesium, bis[2-(hydroxy-κO)benzoato-κO]-, hydrate (1:4), (T-4)-

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(T-4)-Bis[2-(hydroxy-κO)benzoato-κO]magnesium18917-89-0Anhydrous Salicylic acid69-72-7Free acid Sodium salicylate54-21-7Salt Trolamine salicylate2174-16-5Salt Potassium salicylate578-36-9Salt Zinc salicylate16283-36-6Salt (-)-Physostigmine salicylate57-64-7Salt Diethylamine salicylate4419-92-5Salt Ammonium salicylate528-94-9Salt Bismuth subsalicylate14882-18-9Salt Lithium salicylate552-38-5Salt Lamivudine salicylate173522-96-8Salt

Similar compounds

Magnesium bis(monoperoxyphthalate) hexahydrate84665-66-753 % similar Potassium phthalate29801-94-350 % similar Potassium hydrogen phthalate877-24-750 % similar Salicylsalicylic acid552-94-344 % similar 2,3-Dihydroxybenzoic acid303-38-841 % similar 3-Hydroxyanthranilic acid548-93-640 % similar 3-Hydroxy-2-methylbenzoic acid603-80-540 % similar Phthalic acid88-99-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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